2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine

C18H36N2O — CID 64751179

IUPAC2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)CC1CCCOC1
InChIInChI=1S/C18H36N2O/c1-5-8-19-17-11-14(2)10-15(3)18(17)20(4)12-16-7-6-9-21-13-16/h14-19H,5-13H2,1-4H3
InChIKeyODNBCOIXSFOSTD-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds6

About 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine

2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 64751179) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID64751179
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)CC1CCCOC1
InChIInChI=1S/C18H36N2O/c1-5-8-19-17-11-14(2)10-15(3)18(17)20(4)12-16-7-6-9-21-13-16/h14-19H,5-13H2,1-4H3
InChIKeyODNBCOIXSFOSTD-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-N-cyclopentyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64723407
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
N,3,5-trimethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735271
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 64751152
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227

Frequently Asked Questions

What is the IUPAC name of 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine (CID 64751179) is 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CC(C)CC(C)C1N(C)CC1CCCOC1.
What is the InChIKey of 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is ODNBCOIXSFOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-8-19-17-11-14(2)10-15(3)18(17)20(4)12-16-7-6-9-21-13-16/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine?
2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64751179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).